65 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Instituto de Física FundamentalES3 papers
- Centro de AstrobiologíaES2 papers
- Uppsala UniversitySE2 papers
- ALBA Synchrotron (Spain)ES1 paper
- Barcelona Supercomputing CenterES1 paper
- Biologie Moléculaire Structurale et Processus InfectieuxFR1 paper
- Budapest University of Technology and EconomicsHU1 paper
- Center for Theoretical Biological PhysicsUS1 paper
- Centre National de la Recherche ScientifiqueFR1 paper
- Charles UniversityCZ1 paper
- Chicago Institute for PsychoanalysisUS1 paper
- City University of New YorkUS1 paper
7 papers
Slater-Condon Rules and Spin-Orbit Couplings: 2-(2-(2,5-Dimethoxybenzylidene)hydrazineyl)-4-(trifluoromethyl)thiazole a test case
Hasnain Mehmood, Tashfeen Akhtar, Jesús Espinosa-Romero +3
Light-atom chromophores can display properties often associated with heavy-atom compounds, such as intersystem crossing leading to phosphorescence and singlet oxygen generation, ye…
Long-Range Magnetic Order in Structurally Embedded Mesospin Metamaterials
Christina Vantaraki, Oier Bikondoa, Matías P. Grassi +11
Engineered assemblies of interacting magnetic elements-magnetic metamaterials-provide a powerful route to tailor collective magnetic order and dynamics. By structuring matter at th…
On the interfacial properties of hydroquinone: realistic and coarse-grained molecular models from computer simulation
M. J. Torrejón, B. Rodríguez García, J. Algaba +6
In this work, we determine the vapor-liquid (VL) coexistence and interfacial properties of the hydroquinone (HQ) pure system from molecular dynamics simulations. We employ th…
Chiral Light-Matter Interactions with Thermal Magnetoplasmons in Graphene Nanodisks
Mikkel Have Eriksen, Juan R. Deop-Ruano, Joel D. Cox +1
We investigate the emergence of self-hybridized thermal magnetoplasmons in doped graphene nanodisks at finite temperatures when subjected to an external magnetic field. Using a sem…
A machine learning approach to estimate mid-infrared fluxes from WISE data
Nuria Fonseca-Bonilla, Luis Cerdán, Alberto Noriega-Crespo +1
While WISE is the largest, best quality infrared all-sky survey to date, a smaller coverage mission, Spitzer, was designed to have better sensitivity and spatial resolution at simi…
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
Synthesis of the first nitrogen-heterocycles in interstellar ice analogs containing methylamine (CHNH) exposed to UV radiation: Formation of trimethylentriamine (TMT, c-(-CH-NH)) and hexamethylentetramine (HMT, (CH)N)
H. Carrascosa, C. González Díaz, G. M. Muñoz Caro +2
Hexamethylentetramine has drawn a lot of attention due to its potential to produce prebiotic species. This work aims to gain a better understanding in the chemical processes concer…